2-phenoxy-5-(2-pyridin-3-yl-1H-imidazol-5-yl)pyrimidine

C18H13N5O — CID 59252396

IUPAC2-phenoxy-5-(2-pyridin-3-yl-1H-imidazol-5-yl)pyrimidine
SMILESc1ccc(Oc2ncc(-c3cnc(-c4cccnc4)[nH]3)cn2)cc1
InChIInChI=1S/C18H13N5O/c1-2-6-15(7-3-1)24-18-21-10-14(11-22-18)16-12-20-17(23-16)13-5-4-8-19-9-13/h1-12H,(H,20,23)
InChIKeyLHRPPQQRJSIEQE-UHFFFAOYSA-N
MW315.34 g/mol
LogP3.72
Rot. Bonds4

About 2-phenoxy-5-(2-pyridin-3-yl-1H-imidazol-5-yl)pyrimidine

2-phenoxy-5-(2-pyridin-3-yl-1H-imidazol-5-yl)pyrimidine (PubChem CID 59252396) has the molecular formula C18H13N5O and a molecular weight of 315.34 g/mol. Its IUPAC name is 2-phenoxy-5-(2-pyridin-3-yl-1H-imidazol-5-yl)pyrimidine.

Molecular Properties

Compound Name2-phenoxy-5-(2-pyridin-3-yl-1H-imidazol-5-yl)pyrimidine
PubChem CID59252396
Molecular FormulaC18H13N5O
Molecular Weight315.34 g/mol
Exact Mass315.11
IUPAC Name2-phenoxy-5-(2-pyridin-3-yl-1H-imidazol-5-yl)pyrimidine
SMILESc1ccc(Oc2ncc(-c3cnc(-c4cccnc4)[nH]3)cn2)cc1
InChIInChI=1S/C18H13N5O/c1-2-6-15(7-3-1)24-18-21-10-14(11-22-18)16-12-20-17(23-16)13-5-4-8-19-9-13/h1-12H,(H,20,23)
InChIKeyLHRPPQQRJSIEQE-UHFFFAOYSA-N
XLogP3.72
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-5-(2-pyridin-3-yl-1H-imidazol-5-yl)pyrimidine?
The IUPAC name of 2-phenoxy-5-(2-pyridin-3-yl-1H-imidazol-5-yl)pyrimidine (CID 59252396) is 2-phenoxy-5-(2-pyridin-3-yl-1H-imidazol-5-yl)pyrimidine.
What is the SMILES notation for 2-phenoxy-5-(2-pyridin-3-yl-1H-imidazol-5-yl)pyrimidine?
The canonical SMILES for 2-phenoxy-5-(2-pyridin-3-yl-1H-imidazol-5-yl)pyrimidine is c1ccc(Oc2ncc(-c3cnc(-c4cccnc4)[nH]3)cn2)cc1.
What is the InChIKey of 2-phenoxy-5-(2-pyridin-3-yl-1H-imidazol-5-yl)pyrimidine?
The InChIKey is LHRPPQQRJSIEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O/c1-2-6-15(7-3-1)24-18-21-10-14(11-22-18)16-12-20-17(23-16)13-5-4-8-19-9-13/h1-12H,(H,20,23).
What are the key properties of 2-phenoxy-5-(2-pyridin-3-yl-1H-imidazol-5-yl)pyrimidine?
2-phenoxy-5-(2-pyridin-3-yl-1H-imidazol-5-yl)pyrimidine has a molecular weight of 315.34 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-5-(2-pyridin-3-yl-1H-imidazol-5-yl)pyrimidine is sourced from PubChem (CID 59252396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).